Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 11:13, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{drugbox}} taken from revid 477057202 of page Chlordiazepoxide for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 11:14, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 477023671 of page Cholesterol for the Chem/Drugbox validation project (updated: '').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|~~drugbox~~}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
		⚫	\| verifiedrevid = 464397475
	\| Verifiedfields = changed
			\| ImageFile=Cholesterol.svg
⚫	\| verifiedrevid = ~~460030001~~
			\| ImageSize=
	\| IUPAC_name = 7-chloro-2-methylamino-5-phenyl-3''H''-1,4-benzodiazepine-4-oxide''
			\| ImageFile2=Cholesterol-3d.png
	\| image = Chlordiazepoxide.svg
			\| IUPACName=(3β)-cholest-5-en-3-ol
	\| width = 150
			\| OtherNames=(10''R'',13''R'')-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1''H''-cyclopentaphenanthren-3-ol
	\| image2 = Chlordiazepoxide-from-xtal-1982-3D-balls.png
			\| Section1= {{Chembox Identifiers

		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	<!--Clinical data-->
	\| ~~tradename~~ = ~~Librium~~		\| UNII = 97C5T2UQ7J
			\| InChI = 1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
	\| Drugs.com = {{drugs.com\|monograph\|chlordiazepoxide}}
			\| InChIKey = HVYWMOMLDIMFJA-DPAQBDIFBB
	\| MedlinePlus = a682078
	\| pregnancy_US = D
	\| legal_US = Schedule IV
	\| routes_of_administration = oral <br> intramuscular

	<!--Pharmacokinetic data-->
	\| metabolism = ]
	\| elimination_half-life = 5–30 hours (Active metabolite ] 36-200 hours: other active metabolites include ] and ].)
	\| excretion = ]

	<!--Identifiers-->
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = 58-25-3
	\| ATC_prefix = N05
	\| ATC_suffix = BA02
⚫	\| PubChem = ~~2712~~
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = DB00475
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~10248513~~
⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = 6RZ6XEZ3CR
⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
⚫	\| KEGG = ~~D00267~~
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChEBI = ~~3611~~
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~451~~		\| ChEMBL = 112570

	<!--Chemical data-->
	\| C=16 \| H=14 \| Cl=1 \| N=3 \| O=1
	\| molecular_weight = 299.75 g/mol
	\| smiles = Clc1ccc2\N=C(/C(/)=C(\c2c1)c3ccccc3)NC
	\| InChI = 1/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
	\| InChIKey = ANTSCNMPPGJYLG-UHFFFAOYAM
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C16H14ClN3O~~/c1-18-15-10-20(21)~~16(~~11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,~~10H2~~,~~1H3~~,(H,18,~~19)~~		\| StdInChI = 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~ANTSCNMPPGJYLG~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = HVYWMOMLDIMFJA-DPAQBDIFSA-N
			\| CASNo=57-88-5
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 5775
		⚫	\| PubChem=5997
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
		⚫	\| KEGG = D00040
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEBI = 16113
			\| SMILES = C(CCCC(C)C)1CC21(CC32CC=C43(CC(C4)O)C)C
			}}
			\| Section2= {{Chembox Properties
			\| Formula=C<sub>27</sub>H<sub>46</sub>O
			\| MolarMass=386.65 g/mol
			\| Appearance= white crystalline powder<ref name=MSDS>{{cite web \|url=http://physchem.ox.ac.uk/MSDS/CH/cholesterol.html \|title=Safety (MSDS) data for cholesterol \|accessdate=2007-10-20 \|work=}}</ref>
			\| Density= 1.052 g/cm<sup>3</sup>
			\| MeltingPt=148–150 °C<ref name=MSDS/>
			\| BoilingPt=360 °C (decomposes)
			\| Solubility=0.095 mg/L (30 °C)
			\| SolubleOther = soluble in ], ], ], ], ], ], ], ]
			}}
			\| Section7= {{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 11:14, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477023671 of page Cholesterol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name (3β)-cholest-5-en-3-ol
Other names (10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopentaphenanthren-3-ol
Identifiers
CAS Number	57-88-5
3D model (JSmol)	Interactive image
ChEBI	CHEBI:16113
ChEMBL	ChEMBL112570
ChemSpider	5775
KEGG	D00040
PubChem CID	5997
UNII	97C5T2UQ7J
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1Key: HVYWMOMLDIMFJA-DPAQBDIFBB
SMILES C(CCCC(C)C)1CC21(CC32CC=C43(CC(C4)O)C)C
Properties
Chemical formula	C₂₇H₄₆O
Molar mass	386.65 g/mol
Appearance	white crystalline powder
Density	1.052 g/cm
Melting point	148–150 °C
Boiling point	360 °C (decomposes)
Solubility in water	0.095 mg/L (30 °C)
Solubility	soluble in acetone, benzene, chloroform, ethanol, ether, hexane, isopropyl myristate, methanol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound

^ "Safety (MSDS) data for cholesterol". Retrieved 2007-10-20.